CID 2724377

Cystine dimethyl ester

Structural Information

Molecular Formula
C8H16N2O4S2
SMILES
COC(=O)[C@H](CSSC[C@@H](C(=O)OC)N)N
InChI
InChI=1S/C8H16N2O4S2/c1-13-7(11)5(9)3-15-16-4-6(10)8(12)14-2/h5-6H,3-4,9-10H2,1-2H3/t5-,6-/m0/s1
InChIKey
NXPNPYNCKSWEHA-WDSKDSINSA-N
Compound name
methyl (2R)-2-amino-3-[[(2R)-2-amino-3-methoxy-3-oxopropyl]disulfanyl]propanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

51
References

794
Patents

268.05515 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.06243 158.7
[M+Na]+ 291.04437 161.5
[M-H]- 267.04787 156.5
[M+NH4]+ 286.08897 173.5
[M+K]+ 307.01831 159.2
[M+H-H2O]+ 251.05241 151.4
[M+HCOO]- 313.05335 167.6
[M+CH3COO]- 327.06900 198.6
[M+Na-2H]- 289.02982 154.3
[M]+ 268.05460 160.9
[M]- 268.05570 160.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe